| SpectraBase Compound ID | Ejwckr2lRwP |
|---|---|
| InChI | InChI=1S/C16H18/c1-12-9-13(2)16(14(3)10-12)11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3 |
| InChIKey | WUOUGWUVWNZBIU-UHFFFAOYSA-N |
| Mol Weight | 210.32 g/mol |
| Molecular Formula | C16H18 |
| Exact Mass | 210.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EG7p2B2eRcB |
|---|---|
| Name | 1-Benzyl-2,4,6-trimethylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.140850580 u |
| Formula | C16H18 |
| InChI | InChI=1S/C16H18/c1-12-9-13(2)16(14(3)10-12)11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3 |
| InChIKey | WUOUGWUVWNZBIU-UHFFFAOYSA-N |
| Molecular Weight | 210.320 g/mol |
| SMILES | C=1(C(=CC(=CC1C)C)C)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.817113 |